basic_info |
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Product_Name: | 7,10-二(2,2,2-三氯乙氧羰基)-10-脱乙酰基巴卡丁 III |
CAS: | 95603-44-4 |
中文同义词: | 7,10-二(2,2,2-三氯乙氧羰基)-10-脱乙酰基巴卡丁 III |
EnglishSynonyms: | 7,10-TROC-10-DAB |
pro_mdlNumber: | MFCD09840512 |
pro_acceptors: | 14 |
pro_donors: | 2 |
pro_smile: | CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)c5ccccc5)(CO4)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)C)OC(=O)OCC(Cl)(Cl)Cl |
InChi: | InChI=1S/C35H38Cl6O14/c1-16-19(43)12-33(48)26(54-27(45)18-9-7-6-8-10-18)24-31(5,25(44)23(22(16)30(33,3)4)53-29(47)51-15-35(39,40)41)20(52-28(46)50-14-34(36,37)38)11-21-32(24,13-49-21)55-17(2)42/h6-10,19-21,23-24,26,43,48H,11-15H2,1-5H3/t19-,20-,21+,23+,24-,26-,31+,32-,33+/m0/s1 |
InChiKey: | InChIKey=QUWPKVRCMDIMRN-UGDYBXLTSA-N |
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